N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C28H27FN4O MolecularWeight: 454.538583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CCCCC5

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CCCCC5

InChI

InChI=1S/C28H27FN4O/c1-19-25(18-31-33(19)22-13-11-21(29)12-14-22)27-17-24(23-9-5-6-10-26(23)32-27)28(34)30-16-15-20-7-3-2-4-8-20/h5-7,9-14,17-18H,2-4,8,15-16H2,1H3,(H,30,34)